Geometry & MOs

Info

ID:	237020
PubChem CID:	92716924
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	9.07
Dipole, Da:	8.14
IP(EA), eV:	-8.34(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-(2-ethylphenyl)-13-(methoxymethyl)-4,11-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-6-one

Drug info:

PubChemData

Smile

C[C@H]1NC2=C(C(=O)N1C3=CC=C(C=C3)C)SC4=C2C(=CC(=N4)C)C

DOS

IR

Vibrations